Tautomeric equilibrium of uracil and thymine in model protein-nucleic acid contacts. Spectroscopic and quantum chemical approach.
Yevgen Yurenko
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Keto-Enol Tautomer of Uracil and Thymine
Gil Navon
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Anion spectroscopy of uracil, thymine and the amino-oxo and amino-hydroxy tautomers of cytosine and their water clusters
R. Weinkauf
Chemical Physics, 1998
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Tautomerism of the Natural Thymidine Nucleoside and in the Antiviral Analogue D4T. Structure and influence of an Aqueous Environment Using MP2 and DFT Methods
MAURICIO ALCOLEA PALAFOX
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Tautomerism of uracil and related compounds: A mass spectrometry study
matias pila
European journal of mass spectrometry (Chichester, England), 2018
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A theoretical study on cytosine tautomers in aqueous media by using continuum models
Aguinaldo Robinson de Souza
Chemical Physics Letters, 2000
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A note on a non-empirical molecular orbital study of some cytosine and thymine tautomers
Paul Mezey
Theoretica Chimica Acta, 1975
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A theoretical study of tautomerism in the gas phase and aqueous solution: a combined use of state-of-the-art ab initio quantum mechanics and free energy-perturbation methods
Chandra Keshav Kumar Singh
Journal of the American Chemical Society, 1987
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Ab Initio and DFT Study of Uracil-Water Complexes
Achchhe Lal
2017
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Determination of the Tautomeric Equlibrium of Ψ-Uridine in the Basic Solution
Jyoti Chattopadhyaya
The Journal of Organic Chemistry, 1998
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Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment, and in Aqueous Solution. Part 3. Adenine
Martin Kabelac
Journal of Physical Chemistry B, 2004
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Theoretical study of the interaction between thymine and water. Protonation and deprotonation enthalpies and comparison with uracil
Chandra Mt
The Journal of Physical …, 1998
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Modeling the Structures and Electronic Properties of Uracil and Thymine in Gas Phase and Water
Aminu Muhammad
Modern Applied Science, 2017
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Systematic quantum chemical study of DNA-base tautomers
Manuel Piacenza
Journal of Computational Chemistry, 2004
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Theoretical Investigation of the Tautomerism of Isoorotic Acid In Gaseous and Aqueous Phases
Shaaban Elroby
International Journal of …, 2007
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Geometrical and Vibrational Properties of Nucleic Acid Constituents Interacting with Explicit Water Molecules as Analyzed by Density Functional Theory Calculations. 1. Uracil + n w H 2 O ( n w = 1,...,7)
Mahmoud Ghomi
The Journal of Physical Chemistry B, 2001
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Quantum-chemical modeling of the tautomeric equilibria of modified anionic nucleic acid bases
Mati Karelson, Andre Lomaka
Arkivoc, 2002
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Hartree−Fock and Density Functional Methods and IR and NMR Spectroscopies in the Examination of Tautomerism and Features of Neutral 9-Acridinamine in Gaseous and Condensed Media
Ludwika Jóźwiak
Journal of Physical Chemistry A, 1997
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Tautomerism of cytosine, cytidine, and deoxycytidine: Proton transfer through water bridges
Venelin Enchev
International Journal of Quantum Chemistry, 2022
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Theoretical study of alkali metals interactions with thymine tautomers: comparison and analysis
Fatemeh Mollaamin
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Vibrational spectra and theoretical studies of tautomerism and hydrogen bonding in the violuric acid and 6-amino-5-nitrosouracil system
Henrique Toma
Vibrational Spectroscopy, 2007
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Solvent Effects on the Steady-state Absorption and Fluorescence Spectra of Uracil, Thymine and 5-Fluorouracil
Roberto Improta
Photochemistry and Photobiology, 2007
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Prototropic tautomerism in aqueous solution: combined and discrete/SCRF models
Venelin Enchev
Chemical Physics Research Journal, 2007
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An experimental and theoretical vibrational study of 3,3,6,6-tetramethyl-1,2,4,5-tetrathiane
juan zinczuk
Vibrational Spectroscopy, 2015
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Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study
Geza Fogarasi
Physical Chemistry Chemical Physics, 2011
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Tautomerism in 7-Hydroxyquinoline: A Combined Experimental and Theoretical Study in Water
Osama K Abou-Zied
The Journal of Physical Chemistry A, 2011
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A theoretical and experimental investigation of the electronic spectra and tautomerization of nucleobases
Rifaat Hilal
Biophysical Chemistry, 1995
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Study of [1,3]sigmatropic hydrogen migration in uracil, uridine and uridylic acid by AM! method
Rajeshwar Rao Bojja
Indian Journal of Chemistry Section B
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Tautomerism of nucleic acid bases. I. Cytosine
Sunney Chan
Journal of the American Chemical Society, 1972
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Analysis of uracil hydration by means of vibrational spectroscopy and density functional calculations
Mahmoud Ghomi
Journal of Molecular Structure, 2001
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3-Hydroxy-4-methyl-4-pentenonitrile and 4-methyl-3-oxo-4-pentenonitrile: Study of the tautomerics equilibria in gas phase and in solution
Patricia Allegretti
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010
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The importance of correct tautomeric structures for biological molecules
Poul Erik Hansen
2015
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Thermodynamics of 5-Bromouracil Tautomerization From First-Principles Molecular Dynamics Simulations
Tanja Van Mourik
Advances in Quantum Chemistry
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Study of (1,3) sigmatropic hydrogen migration in uracil, uridine and uridylic acid by AM1 method
Rajeshwar R A O Bojja
2006
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Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution: A Combined Experimental and Computational Study of 11 Uracil Derivatives
Roberto Improta
Journal of the American Chemical Society, 2006
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